methyl N-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
Chemical Structure Depiction of
methyl N-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
methyl N-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
Compound characteristics
| Compound ID: | 4570-0007 |
| Compound Name: | methyl N-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | COC(C(Cc1ccccc1)NC(CSc1nc2c(c3ccccc3[nH]2)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1652 |
| logD: | 2.1652 |
| logSw: | -2.6518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.81 |
| InChI Key: | YIDJFHNVSDGZID-INIZCTEOSA-N |